1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione

C3Cl2N3O4- — CID 135033138

IUPAC1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n([O-])c(=O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C3Cl2N3O4/c4-6-1(9)7(5)3(11)8(12)2(6)10/q-1
InChIKeyFTMDJSUIKUZVEH-UHFFFAOYSA-N
MW212.96 g/mol
LogP-1.48
Rot. Bonds

About 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione

1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione (PubChem CID 135033138) has the molecular formula C3Cl2N3O4- and a molecular weight of 212.96 g/mol. Its IUPAC name is 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione
PubChem CID135033138
Molecular FormulaC3Cl2N3O4-
Molecular Weight212.96 g/mol
Exact Mass211.93
IUPAC Name1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n([O-])c(=O)n(Cl)c(=O)n1Cl
InChIInChI=1S/C3Cl2N3O4/c4-6-1(9)7(5)3(11)8(12)2(6)10/q-1
InChIKeyFTMDJSUIKUZVEH-UHFFFAOYSA-N
XLogP-1.48
TPSA89.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.96
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Related Compounds

Trichloroisocyanuric Acid
CID 6909
CID 5359701
CID 5359701
1,3,5-Trichlorosyl-1,3,5-triazinane-2,4,6-trione
CID 149435004
1,3,5-Trichloro-1,3,5-triazinane-2,4,6-trione;hydrate
CID 159023609
Sodium 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione
CID 172748416

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione (CID 135033138) is 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione is O=c1n([O-])c(=O)n(Cl)c(=O)n1Cl.
What is the InChIKey of 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FTMDJSUIKUZVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2N3O4/c4-6-1(9)7(5)3(11)8(12)2(6)10/q-1.
What are the key properties of 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione?
1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione has a molecular weight of 212.96 g/mol, XLogP of -1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-oxido-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 135033138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).